SCHEMBL6607433

SCHEMBL6607433

NC(=O)n1ccc(C2CCCC2)n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN4A P35499 4/20 0.40
SCN9A Q15858 3/20 0.40
NPC1 O15118 3/20 0.36
RAB9A P51151 3/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
LMNA P02545 1/20 0.36
TP53 P04637 1/20 0.36
PKM P14618 1/20 0.36
CAPN1 P07384 1/20 0.35
KMO O15229 1/20 0.35
CNR2 P34972 2/20 0.35
MGLL Q99685 1/20 0.33
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA9 Q16790 1/20 0.33
ALDH1A1 P00352 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
MIF P14174 1/20 0.33
TSHR P16473 1/20 0.32

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6604572 0.97 SCN4A (0.40) SCN4ASCN9ANPC1RAB9ASMN1; SMN2
SCHEMBL6602289 0.93 SCN4A (0.42) SCN4ASCN9ANPC1RAB9ASMN1; SMN2
SCHEMBL6995869 0.81 KMO (0.36) NPC1RAB9ASMN1; SMN2LMNATP53
SCHEMBL27157370 0.77 SMN1; SMN2 (0.39) NPC1RAB9ASMN1; SMN2CAPN1KMO
SCHEMBL31708787 0.76 SCN4A (0.43) SCN4ANPC1RAB9ASMN1; SMN2CAPN1
SCHEMBL30071467 0.72 NPC1 (0.43) NPC1RAB9ASMN1; SMN2PKMCAPN1
SCHEMBL27316770 0.69 NPC1 (0.39) NPC1RAB9ASMN1; SMN2LMNATP53
SCHEMBL5592983 0.69 JMJD6 (0.43) SCN4ANPC1RAB9ASMN1; SMN2LMNA
SCHEMBL27316660 0.68 DDB1 (0.46) NPC1RAB9ASMN1; SMN2LMNATP53
SCHEMBL10887936 0.68 NPC1 (0.49) NPC1RAB9ASMN1; SMN2LMNATP53

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1458379-A1 HYDROXYPHENYL-PYRAZOLE DERIVATIVES ACTIVE AS KINASE INHIBITORS, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM Pharmacia Italia S.p.A. (IT) 2004-09-22 EP claimed
WO-2003051358-A1 HYDROXYPHENYL-PYRAZOLE DERIVATIVES ACTIVE AS KINASE INHIBITORS, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM PHARMACIA ITALIA SPA (IT) 2003-06-26 WO claimed
EP-1458379-A1 HYDROXYPHENYL-PYRAZOLE DERIVATIVES ACTIVE AS KINASE INHIBITORS, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM Pharmacia Italia S.p.A. (IT) 2004-09-22 EP disclosed
WO-2003051358-A1 HYDROXYPHENYL-PYRAZOLE DERIVATIVES ACTIVE AS KINASE INHIBITORS, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM PHARMACIA ITALIA SPA (IT) 2003-06-26 WO disclosed